CAS No.1217-45-4,9,10-DICYANOANTHRACENE Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	1217-45-4
Name:	9,10-DICYANOANTHRACENE
Article Data:	7

Formula:	C₁₆H₈N₂
Molecular Weight:	228.253
Synonyms:	9,10-Dicyanoanthracene;DCA (sensitizer);NSC 17556;
Density:	1.28 g/cm³
Melting Point:	340 °C(lit.)
Boiling Point:	487.7 °C at 760 mmHg
Flash Point:	247.8 °C
Appearance:	yellow to golden yellow needles or powder
Hazard Symbols:	Xn
Risk Codes:	20/21/22
Safety:	22-24/25
PSA:	47.58000
LogP:	3.73636

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Specification

This chemical is called 9,10-Anthracenedicarbonitrile, and its systematic name is anthracene-9,10-dicarbonitrile. With the molecular formula of C₁₆H₈N₂, its molecular weight is 228.25. The CAS registry number of this chemical is 1217-45-4. Additionally, its product categories are Aromatic Nitriles; Anthracenes.

Other characteristics of the 9,10-Anthracenedicarbonitrile can be summarised as followings: (1)ACD/LogP: 3.55; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.55; (4)ACD/LogD (pH 7.4): 3.55; (5)ACD/BCF (pH 5.5): 295.33; (6)ACD/BCF (pH 7.4): 295.33; (7)ACD/KOC (pH 5.5): 2041.04; (8)ACD/KOC (pH 7.4): 2041.04; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 47.58 Å²; (13)Index of Refraction: 1.73; (14)Molar Refractivity: 71 cm³; (15)Molar Volume: 177.8 cm³; (16)Polarizability: 28.14×10^-24cm³; (17)Surface Tension: 67.8 dyne/cm; (18)Density: 1.28 g/cm³; (19)Flash Point: 247.8 °C; (20)Enthalpy of Vaporization: 75.37 kJ/mol; (21)Boiling Point: 487.7 °C at 760 mmHg; (22)Vapour Pressure: 1.16E-09 mmHg at 25°C.

Uses of this chemical: The 9,10-Anthracenedicarbonitrile could react with ethoxymethyl-trimethyl-silane, and obtain the 9-ethoxymethyl-9,10-dihydro-anthracene-9,10-dicarbonitrile. This reaction needs the reagent of acetonitrile. The yield is 39 %. In addition, this reaction should be taken for 10 hours.

When you are using this chemical, please be cautious about it as the following: This chemical is harmful to eyes, respiratory system and skin. Do not breathe dust. Avoid contacting with skin and eyes.

You can still convert the following datas into molecular structure:
1.SMILES: N#Cc2c1c(cccc1)c(C#N)c3c2cccc3
2.InChI: InChI=1/C16H8N2/c17-9-15-11-5-1-2-6-12(11)16(10-18)14-8-4-3-7-13(14)15/h1-8H
3.InChIKey: BIOPPFDHKHWJIA-UHFFFAOYAH